2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one

C20H26N4O2 — CID 57393713

IUPAC2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCC(CC)c1cc(C)n2nc(-c3ccc(OC)nc3C)n(C)c(=O)c12
InChIInChI=1S/C20H26N4O2/c1-7-14(8-2)16-11-12(3)24-18(16)20(25)23(5)19(22-24)15-9-10-17(26-6)21-13(15)4/h9-11,14H,7-8H2,1-6H3
InChIKeyUBEBBWADLAFLDN-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.62
Rot. Bonds5

About 2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one

2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one (PubChem CID 57393713) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
PubChem CID57393713
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one
SMILESCCC(CC)c1cc(C)n2nc(-c3ccc(OC)nc3C)n(C)c(=O)c12
InChIInChI=1S/C20H26N4O2/c1-7-14(8-2)16-11-12(3)24-18(16)20(25)23(5)19(22-24)15-9-10-17(26-6)21-13(15)4/h9-11,14H,7-8H2,1-6H3
InChIKeyUBEBBWADLAFLDN-UHFFFAOYSA-N
XLogP3.62
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one (CID 57393713) is 2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one is CCC(CC)c1cc(C)n2nc(-c3ccc(OC)nc3C)n(C)c(=O)c12.
What is the InChIKey of 2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
The InChIKey is UBEBBWADLAFLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-7-14(8-2)16-11-12(3)24-18(16)20(25)23(5)19(22-24)15-9-10-17(26-6)21-13(15)4/h9-11,14H,7-8H2,1-6H3.
What are the key properties of 2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one?
2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one has a molecular weight of 354.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-2-methyl-3-pyridinyl)-3,7-dimethyl-5-pentan-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 57393713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).